C908-0352 Screening compound: tert-butyl N-[(6-{2-[(4-fluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

C908-0352 Screening compound: tert-butyl N-[(6-{2-[(4-fluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
C908-0352 Screening compound: tert-butyl N-[(6-{2-[(4-fluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C908-0352
tert-butyl N-[(6-{2-[(4-fluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C908-0352

Molecular Formula

C22H27FN6O3 (C22 H27 FN6 O3)

Compound Name

tert-butyl N-[(6-{2-[(4-fluorophenyl)carbamoyl]ethyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate

IUPAC name

tert-butyl N-[(6-{2-[(4-fluorophenyl)carbamoyl]ethyl}-57-dimethyl-[124]triazolo[15-a]pyrimidin-2-yl)methyl]carbamate

SMILES

CC(C)(C)OC(NCc1nn2c(C)c(CCC(Nc(cc3)ccc3F)=O)c(C)nc2n1)=O

InChI

InChI=1S/C22H27FN6O3/c1-13-17(10-11-19(30)26-16-8-6-15(23)7-9-16)14(2)29-20(25-13)27-18(28-29)12-24-21(31)32-22(3,4)5/h6-9H,10-12H2,1-5H3,(H,24,31)(H,26,30)

InChI Key

VTXPYIKMKCZMEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

3.002

Water Solubility, LogSw

-3.50

Polar Surface Area

87.120

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C908-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C908-0352?
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What is the minimum amount of C908-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C908-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C908-0352
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C908-0352 available by request